From a18137eb74ac31cb941023649979db3a919f2cd6 Mon Sep 17 00:00:00 2001
From: pscrozi <pscrozi@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 29 Jan 2015 18:06:53 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13004
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/MC/fix_atom_swap.cpp | 2 ++
 src/MC/fix_gcmc.cpp      | 7 +++++++
 2 files changed, 9 insertions(+)

diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp
index 0480ddd9c2..8de3197d39 100644
--- a/src/MC/fix_atom_swap.cpp
+++ b/src/MC/fix_atom_swap.cpp
@@ -365,6 +365,7 @@ int FixAtomSwap::attempt_semi_grand()
       if (atom->q_flag) atom->q[i] = qtmp;
     }
     energy_stored = energy_before;
+    update->eflag_global = -1;
   } 
   return 0;
 }
@@ -434,6 +435,7 @@ int FixAtomSwap::attempt_swap()
       if (atom->q_flag) atom->q[j] = qtype[1];
     }
     energy_stored = energy_before;
+    update->eflag_global = -1;
   }
   return 0;
 }
diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp
index c06d0b7805..9d2c5fcf1c 100644
--- a/src/MC/fix_gcmc.cpp
+++ b/src/MC/fix_gcmc.cpp
@@ -1253,6 +1253,7 @@ void FixGCMC::attempt_atomic_translation_full()
       }
     }
     energy_stored = energy_before;
+    update->eflag_global = -1;
   } 
   update_gas_atoms_list();
 }
@@ -1297,6 +1298,7 @@ void FixGCMC::attempt_atomic_deletion_full()
       if (atom->q_flag) atom->q[i] = q_tmp;
     }
     energy_stored = energy_before;
+    update->eflag_global = -1;
   }
   update_gas_atoms_list();
 }
@@ -1363,6 +1365,7 @@ void FixGCMC::attempt_atomic_insertion_full()
     atom->natoms--;
     if (proc_flag) atom->nlocal--;
     energy_stored = energy_before;
+    update->eflag_global = -1;
   }
   update_gas_atoms_list();
 }
@@ -1443,6 +1446,7 @@ void FixGCMC::attempt_molecule_translation_full()
     energy_stored = energy_after;
   } else {
     energy_stored = energy_before;
+    update->eflag_global = -1;
     for (int i = 0; i < nlocal; i++) {
       if (atom->molecule[i] == translation_molecule) {
         x[i][0] -= com_displace[0];
@@ -1525,6 +1529,7 @@ void FixGCMC::attempt_molecule_rotation_full()
     energy_stored = energy_after;    
   } else {
     energy_stored = energy_before;
+    update->eflag_global = -1;
     int n = 0;
     for (int i = 0; i < nlocal; i++) {
       if (mask[i] & molecule_group_bit) {
@@ -1584,6 +1589,7 @@ void FixGCMC::attempt_molecule_deletion_full()
     energy_stored = energy_after;
   } else {
     energy_stored = energy_before;
+    update->eflag_global = -1;
     int m = 0;
     for (int i = 0; i < atom->nlocal; i++) {
       if (atom->molecule[i] == deletion_molecule) {
@@ -1728,6 +1734,7 @@ void FixGCMC::attempt_molecule_insertion_full()
     atom->natoms -= natoms_per_molecule;
   
     energy_stored = energy_before;
+    update->eflag_global = -1;
     int i = 0;
     while (i < atom->nlocal) {
       if (atom->molecule[i] == insertion_molecule) {